9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole

C30H24N2 — CID 2825587

IUPAC9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole
SMILESC=CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4CC=C)ccc21
InChIInChI=1S/C30H24N2/c1-3-17-31-27-11-7-5-9-23(27)25-19-21(13-15-29(25)31)22-14-16-30-26(20-22)24-10-6-8-12-28(24)32(30)18-4-2/h3-16,19-20H,1-2,17-18H2
InChIKeyXRGFZEVGDWUXAR-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.94
Rot. Bonds5

About 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole

9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole (PubChem CID 2825587) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole
PubChem CID2825587
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole
SMILESC=CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4CC=C)ccc21
InChIInChI=1S/C30H24N2/c1-3-17-31-27-11-7-5-9-23(27)25-19-21(13-15-29(25)31)22-14-16-30-26(20-22)24-10-6-8-12-28(24)32(30)18-4-2/h3-16,19-20H,1-2,17-18H2
InChIKeyXRGFZEVGDWUXAR-UHFFFAOYSA-N
XLogP7.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole?
The IUPAC name of 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole (CID 2825587) is 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole is C=CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4CC=C)ccc21.
What is the InChIKey of 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole?
The InChIKey is XRGFZEVGDWUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-3-17-31-27-11-7-5-9-23(27)25-19-21(13-15-29(25)31)22-14-16-30-26(20-22)24-10-6-8-12-28(24)32(30)18-4-2/h3-16,19-20H,1-2,17-18H2.
What are the key properties of 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole?
9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole has a molecular weight of 412.54 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole is sourced from PubChem (CID 2825587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).